Maximilian Scheurer

Psi4 1.4: Open-source software for high-throughput quantum chemistry.

Daniel G A Smith, Lori A Burns, Andrew C Simmonett, 2020, The Journal of chemical physics.

adcc: A versatile toolkit for rapid development of algebraic‐diagrammatic construction methods

Maximilian Scheurer, Andreas Dreuw, Michael F. Herbst, 2019 .

NAMD goes quantum: An integrative suite for QM/MM simulations

Klaus Schulten, Frank Neese, Maximilian Scheurer, 2018, Nature Methods.

CPPE: An Open-Source C++ and Python Library for Polarizable Embedding.

Maximilian Scheurer, Andreas Dreuw, Jacob Kongsted, 2019, Journal of chemical theory and computation.

maxscheurer/adc_excipol_data: Paper Submission

Maximilian Scheurer, 2020 .

Polarizable Embedding for the Algebraic-Diagrammatic Construction Scheme: Investigating Photoexcitations in Large Biomolecular Systems

Maximilian Scheurer, Maximilian Scheurer, 2020 .

PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations.

Klaus Schulten, Maximilian Scheurer, Rafael C Bernardi, 2018, Biophysical journal.

Efficient Open-Source Implementations of Linear-Scaling Polarizable Embedding: Use Octrees to Save the Trees

Maximilian Scheurer, Andreas Dreuw, Jacob Kongsted, 2021 .

VeloxChem: A Python‐driven density‐functional theory program for spectroscopy simulations in high‐performance computing environments

Maximilian Scheurer, Xin Li, Andreas Dreuw, 2019, WIREs Computational Molecular Science.